SCHEMBL6368657

SCHEMBL6368657

CC(C)(C)OC(OC(N)=O)(C(=O)NC1CCCCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CCR1 P32246 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ EPHX1 P07099 4/20 0.40
▸ EPHX2 P34913 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6141793 0.76 ALDH1A1 (0.47) ALDH1A1RAB9ACCR1PKMMAPT
SCHEMBL13348713 0.75 EPHX1 (0.51) ALDH1A1RAB9ACCR1PKMEPHX1
SCHEMBL6928586 0.75 HDAC3 (0.54) ALDH1A1RAB9ACCR1PKMEPHX1
SCHEMBL6719649 0.74 ALDH1A1 (0.43) ALDH1A1RAB9ACCR1MAPTEPHX2
SCHEMBL25464076 0.70 MAPT (0.46) ALDH1A1RAB9ACCR1PKMMAPT
SCHEMBL10639153 0.69 PKM (0.46) ALDH1A1RAB9ACCR1PKMEPHX1
SCHEMBL11582899 0.69 CCR1 (0.53) ALDH1A1RAB9ACCR1PKMEPHX1
SCHEMBL27769526 0.68 HDAC3 (0.43) RAB9ACCR1MAPTSMN1; SMN2CHRM2
SCHEMBL27481076 0.67 HDAC3 (0.59) RAB9ACCR1SMN1; SMN2LMNACHRM2
SCHEMBL28248578 0.67 RAB9A (0.55) ALDH1A1RAB9APKMEPHX1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 — — WO disclosed
US-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them PFIZER INC 2005-01-20 — — US disclosed
WO-2005003115-A1 THIOPHENE AMINO ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them MMP12, MMP9, MMP13 ALDH1A1 3564/4885RAB9A 475/4885CCR1 374/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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